Glycoside
GD136155
Name:
[({[({5-[(2-amino-5-formamido-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acidFormula:
C10H18O15N5P3Smiles:
N=c1nc(O)c(N=CO)c(NC2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N=c1nc(O)c(N=CO)c(N)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 541.2 | Num_heavy_atoms: | 33 |
| TPSA: | 326.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD55035
Formula: C5H7O2N5
Smiles:
N=c1nc(O)c(N=CO)c(N)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.14 | Num_heavy_atoms: | 12 |
| TPSA: | 131.37 | NumAromaticRings: | 1 |
